phenyl-[4-(trifluoromethyl)phenyl]carbamic acid

C14H10F3NO2 — CID 67276007

IUPACphenyl-[4-(trifluoromethyl)phenyl]carbamic acid
SMILESO=C(O)N(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)10-6-8-12(9-7-10)18(13(19)20)11-4-2-1-3-5-11/h1-9H,(H,19,20)
InChIKeyGGQWYRSWWHDMKJ-UHFFFAOYSA-N
MW281.23 g/mol
LogP4.52
Rot. Bonds2

About phenyl-[4-(trifluoromethyl)phenyl]carbamic acid

phenyl-[4-(trifluoromethyl)phenyl]carbamic acid (PubChem CID 67276007) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is phenyl-[4-(trifluoromethyl)phenyl]carbamic acid.

Molecular Properties

Compound Namephenyl-[4-(trifluoromethyl)phenyl]carbamic acid
PubChem CID67276007
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Namephenyl-[4-(trifluoromethyl)phenyl]carbamic acid
SMILESO=C(O)N(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)10-6-8-12(9-7-10)18(13(19)20)11-4-2-1-3-5-11/h1-9H,(H,19,20)
InChIKeyGGQWYRSWWHDMKJ-UHFFFAOYSA-N
XLogP4.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(trifluoromethyl)phenyl]carbamic acid?
The IUPAC name of phenyl-[4-(trifluoromethyl)phenyl]carbamic acid (CID 67276007) is phenyl-[4-(trifluoromethyl)phenyl]carbamic acid.
What is the SMILES notation for phenyl-[4-(trifluoromethyl)phenyl]carbamic acid?
The canonical SMILES for phenyl-[4-(trifluoromethyl)phenyl]carbamic acid is O=C(O)N(c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of phenyl-[4-(trifluoromethyl)phenyl]carbamic acid?
The InChIKey is GGQWYRSWWHDMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)10-6-8-12(9-7-10)18(13(19)20)11-4-2-1-3-5-11/h1-9H,(H,19,20).
What are the key properties of phenyl-[4-(trifluoromethyl)phenyl]carbamic acid?
phenyl-[4-(trifluoromethyl)phenyl]carbamic acid has a molecular weight of 281.23 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(trifluoromethyl)phenyl]carbamic acid is sourced from PubChem (CID 67276007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).